SCHEMBL11522230

SCHEMBL11522230

Cc1ccc2c(n1)C(C(=O)O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.40
USP2 O75604 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACHE P22303 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
RECQL P46063 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
MAPT P10636 1/20 0.31
MCL1 Q07820 1/20 0.31
RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17222057 0.90 KDM4E (0.36) SIRT1USP2RXFP1KDM4EALDH1A1
SCHEMBL2308095 0.81 LMNA (0.36) SIRT1ALDH1A1LMNAKMT2ASIRT2
SCHEMBL11013324 0.80 IRAK4 (0.32) SIRT1USP2RXFP1KDM4EALDH1A1
SCHEMBL11013358 0.80 KDM4E (0.33) USP2RXFP1KDM4EALDH1A1LMNA
Oxalic Acid SCHEMBL3858250 0.79 IRAK4 (0.40) USP2RXFP1KDM4EALDH1A1LMNA
SCHEMBL10841326 0.77 SIRT1 (0.39) SIRT1USP2RXFP1KDM4EALDH1A1
SCHEMBL14884981 0.77 ACHE (0.38) USP2RXFP1KDM4EALDH1A1LMNA
SCHEMBL5111399 0.77 ACHE (0.38) USP2RXFP1KDM4EALDH1A1LMNA
SCHEMBL10287319 0.77 ACHE (0.38) USP2RXFP1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL11519661 0.77 ADORA1 (0.37) KDM4EALDH1A1KMT2AMEN1CNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 US disclosed